Methyl [(2-chloro-4-nitrophenyl)thio]acetate
Basic information
- CAS
139326-35-5- Standard SMILES
COC(=O)CSc1ccc([N+](=O)[O-])cc1Cl- InChIKey
YKBDLXCNSDMLAE-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO4S
- Average molar mass
- 261.68 g/mol
- Monoisotopic mass
- 260.9862566
Names & identifiers
- Preferred name
- Methyl [(2-chloro-4-nitrophenyl)thio]acetate
- IUPAC
- methyl 2-(2-chloro-4-nitrophenyl)sulfanylacetate
- English name
- Methyl 2-[(2-chloro-4-nitrophenyl)sulfanyl]acetate
- Molecular formula
- C9H8ClNO4S
- Molecular weight
- 261.68
Names & synonyms
139326-35-5methyl [(2-chloro-4-nitrophenyl)thio]acetatemethyl 2-[(2-chloro-4-nitrophenyl)sulfanyl]acetateMFCD07021492Methyl 2-((2-chloro-4-nitrophenyl)thio)acetatemethyl 2-(2-chloro-4-nitrophenyl)sulfanylacetateAcetic acid, ((2-chloro-4-nitrophenyl)thio)-, methyl esterAcetic acid, [(2-chloro-4-nitrophenyl)thio]-, methyl estermethyl 2-(2-chloro-4-nitrophenylthio)acetatemethyl [(2-chloro-4-nitrophenyl)sulfanyl]acetateDTXSID10879709ALBB-023340
Show more names
methyl 2-(2-chloro-4-nitro-phenyl)sulfanylethanoate2-[(2-chloro-4-nitrophenyl)thio]acetic acid methyl ester2-[(2-chloro-4-nitro-phenyl)thio]acetic acid methyl esterAcetic acid, 2-[(2-chloro-4-nitrophenyl)thio]-, methyl ester
SBB071592AKOS000365150ST079413CS-0117106H33960Methyl2-((2-chloro-4-nitrophenyl)thio)acetate2-Chloro-4-nitrophenylthio-acetic acid, methyl e5Y-0818
Database identifiers
- CAS
139326-35-5- PubChem CID
- 12979355
- DTXSID
DTXSID10879709- Nikkaji
- J696.250E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 97.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
LogP2.66
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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